(2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide

C16H23N3O6S — CID 10524134

IUPAC(2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C/C(=N\OC(C)(C)C)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C16H23N3O6S/c1-16(2,3)25-18-11-9-14(15(20)17-21)19(10-11)26(22,23)13-7-5-12(24-4)6-8-13/h5-8,14,21H,9-10H2,1-4H3,(H,17,20)/b18-11-/t14-/m1/s1
InChIKeyWXUQPWYPRTYWIR-JVVDOCDTSA-N
MW385.44 g/mol
LogP1.13
Rot. Bonds5

About (2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide

(2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide (PubChem CID 10524134) has the molecular formula C16H23N3O6S and a molecular weight of 385.44 g/mol. Its IUPAC name is (2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide
PubChem CID10524134
Molecular FormulaC16H23N3O6S
Molecular Weight385.44 g/mol
Exact Mass385.13
IUPAC Name(2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C/C(=N\OC(C)(C)C)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C16H23N3O6S/c1-16(2,3)25-18-11-9-14(15(20)17-21)19(10-11)26(22,23)13-7-5-12(24-4)6-8-13/h5-8,14,21H,9-10H2,1-4H3,(H,17,20)/b18-11-/t14-/m1/s1
InChIKeyWXUQPWYPRTYWIR-JVVDOCDTSA-N
XLogP1.13
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide (CID 10524134) is (2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2C/C(=N\OC(C)(C)C)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide?
The InChIKey is WXUQPWYPRTYWIR-JVVDOCDTSA-N. The full InChI is InChI=1S/C16H23N3O6S/c1-16(2,3)25-18-11-9-14(15(20)17-21)19(10-11)26(22,23)13-7-5-12(24-4)6-8-13/h5-8,14,21H,9-10H2,1-4H3,(H,17,20)/b18-11-/t14-/m1/s1.
What are the key properties of (2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide?
(2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxyimino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10524134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).